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4500-20-3 molecular structure
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N-(4-phenylcyclohexylidene)hydroxylamine

ChemBase ID: 60422
Molecular Formular: C12H15NO
Molecular Mass: 189.2536
Monoisotopic Mass: 189.11536411
SMILES and InChIs

SMILES:
N(=C\1/CCC(c2ccccc2)CC1)/O
Canonical SMILES:
O/N=C/1\CCC(CC1)c1ccccc1
InChI:
InChI=1S/C12H15NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/b13-12-
InChIKey:
JTLAHVRPWDIEMU-SEYXRHQNSA-N

Cite this record

CBID:60422 http://www.chembase.cn/molecule-60422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-phenylcyclohexylidene)hydroxylamine
IUPAC Traditional name
N-(4-phenylcyclohexylidene)hydroxylamine
Synonyms
4-Phenylcyclohexanone oxime
CAS Number
4500-20-3
MDL Number
MFCD00456899
PubChem SID
162026163
PubChem CID
343882

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 343882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.616288  H Acceptors
H Donor LogD (pH = 5.5) 2.9177997 
LogD (pH = 7.4) 2.918462  Log P 2.918497 
Molar Refractivity 56.7127 cm3 Polarizability 21.997835 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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